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Paraffins, waxes and cycloalkanes

Heptylcyclohexane

Also known as n-Heptylcyclohexane, Cyclohexane, heptyl-, n-Heptyl cyclohexane

CAS 5617-41-4Formula C13H26Molar mass 182.35 g/molEC 227-041-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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Heptylcyclohexane chemical structure, C13H26, CAS 5617-41-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5617-41-4
Formula
C13H26
Molar mass
182.35 g/mol
EC number
227-041-9
HS code
290219
Category
Paraffins, waxes and cycloalkanes

What is Heptylcyclohexane?

Plain description, key identifiers and synonyms

heptylcyclohexane has been reported in Terminalia chebula.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
heptylcyclohexane
CAS number
5617-41-4 CAS number cross-checked
EC number
227-041-9
Molecular formula
C13H26
MDL number
MFCD00019404
InChIKey
MSTLSCNJAHAQNU-UHFFFAOYSA-N
InChI
InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
SMILES (canonical and isomeric)
CCCCCCCC1CCCCC1

Synonyms

  • n-Heptylcyclohexane
  • Cyclohexane, heptyl-
  • n-Heptyl cyclohexane
  • Cyclohexane, n-heptyl-
  • 1-Cyclohexylheptane
  • Heptane, 1-cyclohexyl-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
182.35 g/molcalc.
Exact mass
182.2035 Dacalc.
LogP (octanol/water)
4.93calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
6calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (10)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Heptylcyclohexane suppliers

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Heptylcyclohexane price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Heptylcyclohexane is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Heptylcyclohexane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Heptylcyclohexane, based on the data on this page

What is Heptylcyclohexane?

heptylcyclohexane has been reported in Terminalia chebula.

What is the CAS number of Heptylcyclohexane?

The CAS registry number of Heptylcyclohexane is 5617-41-4.

What is the molecular formula and weight of Heptylcyclohexane?

The molecular formula of Heptylcyclohexane is C13H26 and its molar mass is 182.35 g/mol.

Is Heptylcyclohexane hazardous?

Heptylcyclohexane carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation, may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Heptylcyclohexane?

Heptylcyclohexane is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Heptylcyclohexane?

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What is the price of Heptylcyclohexane?

Suppliers quote Heptylcyclohexane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Heptylcyclohexane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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